ethyl 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylnipecotic acid ethyl ester Formula: C25H24F3NO6S MolecularWeight: 523.52137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C25H24F3NO6S/c1-2-34-24(31)18-4-3-11-29(15-18)36(32,33)19-8-5-16(6-9-19)12-17-7-10-22-20(13-17)21(25(26,27)28)14-23(30)35-22/h5-10,13-14,18H,2-4,11-12,15H2,1H3